UCSF

ZINC37818655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.33 2.97 -41.45 2 5 1 63 219.286 4
Mid Mid (pH 6-8) -0.33 1.73 -11.36 1 5 0 59 218.278 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )